UCSF

ZINC34891973

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 34 Yes

Popular Name: N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine N-(3-ethynylphenyl)-6-(2-methoxy…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.83 11.21 -44.87 2 8 1 73 462.574 10 ↓
Hi High (pH 8-9.5) 2.83 8.84 -14.61 1 8 0 72 461.566 10 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )